1622-61-3
Product Name:
Clonazepam
Formula:
C15H10ClN3O3
Synonyms:
5-(2-Chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2(1H)-one
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | White crystals from ethanol-methylene chloride |
| Odor | Faint odor |
| Melting Point | 238-240 |
| Solubility | 100 mg/L (at 25 °C) |
| LogP | 2.41 |
| Stability/Shelf Life | The commercially available conventional tablets have an expiration date of 5 years following the date of manufacture. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/. |
| Dissociation Constants | pK1 = 1.5; pK2 = 10.5 |
| Collision Cross Section | 168.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2803 2860 2806 2833 2832 2856 2878 2813 2885 2857.1 2843.3 2827 2860 2885 2814 2885 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 315.71 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 315.0410689 g/mol |
| Monoisotopic Mass | 315.0410689 g/mol |
| Topological Polar Surface Area | 87.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 491 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Clonazepam is 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation. It has a role as an anticonvulsant, a GABA modulator and an anxiolytic drug. It is a 1,4-benzodiazepinone and a member of monochlorobenzenes.